SCHEMBL16488648

SCHEMBL16488648

Nc1c(N=Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)c3cc(S(=O)(=O)O)cc(O)c23)ccc2ccc(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.48
SENP3 Q9H4L4 4/20 0.46
SENP2 Q9HC62 4/20 0.46
SENP1 Q9P0U3 4/20 0.46
SUMO2 P61956 2/20 0.46
SUMO1 P63165 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
APEX1 P27695 1/20 0.46
PTPN11 Q06124 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
CSNK2A1 P68400 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3435168 0.93 ENPP2 (0.49) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL16488650 0.87 PTPN11 (0.48) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL3435549 0.85 SENP2 (0.51) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL3433604 0.83 CYP1A2 (0.51) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15281245 0.81 APEX1 (0.55) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL3434123 0.80 ENPP2 (0.64) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL16488652 0.79 ENPP2 (0.48) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL16488641 0.79 CYP1A2 (0.56) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL16488671 0.79 ENPP2 (0.45) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL3434042 0.79 SENP2 (0.54) ENPP2SENP3SENP2SENP1SUMO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499707-B2 Water soluble and water fast dyes for ink jet printing REX-TONE INDUSTRIES LTD (IN) 2016-11-22 US disclosed
US-20150050466-A1 Water Soluble and Water Fast Dyes for Ink Jet Printing ILFORD IMAGING SWITZERLAND GMBH (CH) 2015-02-19 US disclosed